N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide

C26H31N3O3S — CID 50760062

IUPACN-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C26H31N3O3S/c1-28-24-12-11-22(17-23(24)25(26(28)30)20-9-5-6-10-20)33(31,32)27-21-13-15-29(16-14-21)18-19-7-3-2-4-8-19/h2-4,7-8,11-12,17,21,27H,5-6,9-10,13-16,18H2,1H3
InChIKeyPTSYXXQCXREQAE-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.93
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide

N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide (PubChem CID 50760062) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide
PubChem CID50760062
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C26H31N3O3S/c1-28-24-12-11-22(17-23(24)25(26(28)30)20-9-5-6-10-20)33(31,32)27-21-13-15-29(16-14-21)18-19-7-3-2-4-8-19/h2-4,7-8,11-12,17,21,27H,5-6,9-10,13-16,18H2,1H3
InChIKeyPTSYXXQCXREQAE-UHFFFAOYSA-N
XLogP3.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide
CID 50760140
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 46823312
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
CID 50760091
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508757
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide (CID 50760062) is N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide is CN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide?
The InChIKey is PTSYXXQCXREQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-28-24-12-11-22(17-23(24)25(26(28)30)20-9-5-6-10-20)33(31,32)27-21-13-15-29(16-14-21)18-19-7-3-2-4-8-19/h2-4,7-8,11-12,17,21,27H,5-6,9-10,13-16,18H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide?
N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide has a molecular weight of 465.62 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 50760062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).